What problem does it solve? Pharmaceutical research requires pulling compound, bioactivity, and safety data from multiple public databases, each with its own API and query syntax. This Skill consolidates ChEMBL, PubChem, OpenFDA, and OpenTargets lookups into ready-to-run commands and scripts so researchers can screen molecules and targets without writing API boilerplate. ## Core Features & Use Cases - Bioactive Compound Search: Find targets and their active compounds in ChEMBL by name or ChEMBL ID, filtered by pChEMBL potency thresholds. - Drug-Likeness Screening: Evaluate molecules against Lipinski's Rule of Five and Veber's oral bioavailability rules using PubChem property data, including batch screening via the ro5_screen.py script. - Safety & Interaction Lookup: Retrieve drug interaction text from FDA labels and top reported adverse events from OpenFDA, plus gene-disease associations from OpenTargets. - Use Case: A medicinal chemist evaluating a lead series can batch-screen candidate compounds for Ro5 compliance, check the top hit's adverse event profile, and pull known bioactivities against the intended target in one session. ## Quick Start Ask the agent to check whether aspirin passes Lipinski's Rule of Five and look up its known drug interactions.
